SCHEMBL10465409

SCHEMBL10465409

S=CNc1ccc(Br)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 2/20 0.37
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 6/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ERN1 O75460 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 3/20 0.32
CA2 P00918 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10467190 0.79 RAB9A (0.42) ALDH1A1L3MBTL1NPC1MEN1KMT2A
SCHEMBL10465699 0.78 HSP90AA1 (0.41) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL11796056 0.74 ALOX15 (0.46) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL31550899 0.74 ALOX15 (0.46) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL15423725 0.74 ALOX15 (0.46) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL18697953 0.72 KMT2A (0.37) MAPK1NPC1MEN1KMT2ARAB9A
SCHEMBL10465406 0.71 CYP3A4 (0.50) ALOX15ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL12301896 0.70 APP (0.46) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL1999703 0.70 ALOX15 (0.42) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL29661787 0.70 APP (0.46) ALOX15ALDH1A1MAPK1HSP90AA1TLR9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed